[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]carbamic acid

C13H16N2O3 — CID 70362593

IUPAC[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]carbamic acid
SMILESC[C@@H](NC(=O)O)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C13H16N2O3/c1-9(14-13(17)18)12(16)15-8-4-6-10-5-2-3-7-11(10)15/h2-3,5,7,9,14H,4,6,8H2,1H3,(H,17,18)/t9-/m1/s1
InChIKeyHYCUQQRMTVOWEC-SECBINFHSA-N
MW248.28 g/mol
LogP1.62
Rot. Bonds2

About [(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]carbamic acid

[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]carbamic acid (PubChem CID 70362593) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is [(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]carbamic acid
PubChem CID70362593
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]carbamic acid
SMILESC[C@@H](NC(=O)O)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C13H16N2O3/c1-9(14-13(17)18)12(16)15-8-4-6-10-5-2-3-7-11(10)15/h2-3,5,7,9,14H,4,6,8H2,1H3,(H,17,18)/t9-/m1/s1
InChIKeyHYCUQQRMTVOWEC-SECBINFHSA-N
XLogP1.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]urea
CID 47097542
N-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-2-methylbenzamide
CID 53037121
4-bromo-N-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]benzamide
CID 53037123
N-[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-4-propan-2-ylbenzamide
CID 95091917
N-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-2,4-dimethylbenzamide
CID 95056727
2-chloro-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 3271608
2-(2-bromophenyl)-N-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]acetamide
CID 53125880
phenyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamate
CID 110348139
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-methylurea
CID 46383472
ethyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamate
CID 110348137
N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-1-hydroxycyclopentane-1-carboxamide
CID 110922742
1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenoxypropan-1-one
CID 2904377

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]carbamic acid?
The IUPAC name of [(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]carbamic acid (CID 70362593) is [(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]carbamic acid.
What is the SMILES notation for [(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]carbamic acid?
The canonical SMILES for [(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]carbamic acid is C[C@@H](NC(=O)O)C(=O)N1CCCc2ccccc21.
What is the InChIKey of [(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]carbamic acid?
The InChIKey is HYCUQQRMTVOWEC-SECBINFHSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9(14-13(17)18)12(16)15-8-4-6-10-5-2-3-7-11(10)15/h2-3,5,7,9,14H,4,6,8H2,1H3,(H,17,18)/t9-/m1/s1.
What are the key properties of [(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]carbamic acid?
[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]carbamic acid has a molecular weight of 248.28 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]carbamic acid is sourced from PubChem (CID 70362593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).